Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
文献类型:期刊论文
作者 | Liu, Shu-Xia; Lu, Gang1; Zhang, Hui; Geng, Yi-Zhao; Jix, Qing2,3 |
刊名 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION |
出版日期 | 2021 |
卷号 | 17期号:2页码:1017-1029 |
ISSN号 | 1549-9618 |
DOI | 10.1021/acs.jctc.0c00566 |
英文摘要 | Kinesin-1 is a motor protein moving along a microtubule with its two identical motor heads dimerized by two neck linkers and a coiled-coil stalk. When both motor heads bind the microtubule, an internal strain is built up between the two heads, which is indispensable to ensure proper coordination of the two motor heads during kinesin-1's mechanochemical cycle. The internal strain forms a tensile force along the neck linker that tends to unwind the neck coiled coil (NCC). Experiments showed that the kinesin-1's NCC has a high antiunwinding ability compared with conventional coiled coils, which was mainly attributed to the enhanced hydrophobic pressure arising from the unconventional sequence of kinesin-1's NCC. However, hydrophobic pressure cannot provide the shearing force which is needed to balance the tensile force on the interface between two helices. To find out the true origin of the mechanical stability of kinesin-1's NCC, we perform a novel and detailed mechanical analysis for the system based on molecular dynamics simulation at an atomic level. We find that the needed shearing force is provided by a buckle structure formed by two tyrosines which form effective steric hindrance in the presence of tensile forces. The tensile force is balanced by the tensile direction component of the contact force between the two tyrosines which forms the shearing force. The hydrophobic pressure balances the other component of the contact force perpendicular to the tensile direction. The antiunwinding strength of NCC is defined by the maximum shearing force, which is finally determined by the hydrophobic pressure. Kinesin-1 uses residues with plane side chains, tryptophans and tyrosines, to form the hydrophobic center and to shorten the interhelix distance so that a high antiunwinding strength is obtained. The special design of NCC ensures exquisite cooperation of steric hindrance and hydrophobic pressure that results in the surprising mechanical stability of NCC. |
学科主题 | Chemistry ; Physics |
语种 | 英语 |
源URL | [http://ir.itp.ac.cn/handle/311006/27429] |
专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
作者单位 | 1.Hebei Univ Technol, Inst Biophys, Tianjin 300401, Peoples R China 2.North China Elect Power Univ, Math & Phys Sci Sch, Baoding 071003, Peoples R China 3.Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China 4.Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China |
推荐引用方式 GB/T 7714 | Liu, Shu-Xia,Lu, Gang,Zhang, Hui,et al. Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil[J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION,2021,17(2):1017-1029. |
APA | Liu, Shu-Xia,Lu, Gang,Zhang, Hui,Geng, Yi-Zhao,&Jix, Qing.(2021).Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil.JOURNAL OF CHEMICAL THEORY AND COMPUTATION,17(2),1017-1029. |
MLA | Liu, Shu-Xia,et al."Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil".JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17.2(2021):1017-1029. |
入库方式: OAI收割
来源:理论物理研究所
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